SCHEMBL7434712

SCHEMBL7434712

CCOC(=O)C[C@H](CC(=O)CCCCc1ccc2c(n1)NCCC2)c1ccc2ccoc2c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.49
ITGB3 P05106 18/20 0.49
ITGB6 P18564 12/20 0.49
ITGB5 P18084 10/20 0.49
ITGB8 P26012 10/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7434705 1.00 ITGAV (0.49) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL7446392 0.90 ITGAV (0.59) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL7446275 0.90 ITGAV (0.59) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL7441107 0.90 ITGAV (0.59) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL7443095 0.85 ITGB3 (0.66) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL7443091 0.85 ITGB3 (0.66) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL14608716 0.83 ITGAV (0.66) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL14608717 0.81 ITGAV (0.68) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL5251715 0.81 ITGAV (0.63) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL5248211 0.81 ITGAV (0.63) ITGAVITGB3ITGB6ITGB5ITGB8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410526-B1 BONE DISORDERS; RESTENOSIS; VISION DISORDERS; ANTICHOLESTEROL AGENTS; ANTICANCER, ANTITUMOR AGENTS MERCK & CO., INC. 2002-06-25 US disclosed